Towards an accurate determination of the
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Geerd H.F. Diercksen; Andrzej J. Sadlej; Dage Sundholm; Pekka PyykkΓΆ
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Article
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1988
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Elsevier Science
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English
β 523 KB
Fully numerical two-dimensional Hat-tree-Fock and Gaussian basis set fourth-order MBPT calculations are used to evaluate accurately the electric field gradient at Li in LiF. With the aid of the microwave data for LiF and theoretical values of the electric field gradient at Li the "molecular" value o